Information card for entry 7055595

Structure parameters

• Formula: C48 H37 N5 O2 Zn
• Calculated formula: C48 H37 N5 O2 Zn
• Title of publication: Selective complexation of di-n-hexylammonium salts by tailed porphyrin host
• Authors of publication: Liu, Hui; Tu, Ji-Qiang; Zhang, Cheng-Hua; Xiao, Qiao-Ting; Wang, Tian-Hua; Ju, Xiu-Lian
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5679
• a: 11.412 ± 0.004 Å
• b: 15.341 ± 0.006 Å
• c: 24.64 ± 0.009 Å
• α: 90°
• β: 102.498 ± 0.006°
• γ: 90°
• Cell volume: 4212 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No